N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[7-(2-cyclopentylethanoylamino)-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[7-(2-cyclopentylethanoylamino)-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[7-[(2-cyclopentylacetyl)amino]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[7-[(2-cyclopentyl-1-oxoethyl)amino]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[7-[(2-cyclopentylacetyl)amino]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-oxo-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[7-[(2-cyclopentylacetyl)amino]-3-[4-[3-(dimethylamino)propoxy]phenyl]-1-keto-3,4-dihydroisoquinolin-2-yl]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C41H54N6O5 MolecularWeight: 710.90466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC=C(C=C1)C2CC3=C(C=C(C=C3)NC(=O)CC4CCCC4)C(=O)N2CC5=CC=C(C=C5)C(=O)N(CCN(C)C)CC(=O)N

Isomeric SMILES

CN(C)CCCOC1=CC=C(C=C1)C2CC3=C(C=C(C=C3)NC(=O)CC4CCCC4)C(=O)N2CC5=CC=C(C=C5)C(=O)N(CCN(C)C)CC(=O)N

InChI

InChI=1S/C41H54N6O5/c1-44(2)20-7-23-52-35-18-15-31(16-19-35)37-25-33-14-17-34(43-39(49)24-29-8-5-6-9-29)26-36(33)41(51)47(37)27-30-10-12-32(13-11-30)40(50)46(28-38(42)48)22-21-45(3)4/h10-19,26,29,37H,5-9,20-25,27-28H2,1-4H3,(H2,42,48)(H,43,49)