N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxooctylamino)benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)benzamide Traditional Name: 5-(caprylylamino)-N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C30H44N4O2 MolecularWeight: 492.69596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCN(CC)CC

InChI

InChI=1S/C30H44N4O2/c1-4-7-8-9-10-15-29(35)32-26-16-17-28(34-20-18-24-13-11-12-14-25(24)23-34)27(22-26)30(36)31-19-21-33(5-2)6-3/h11-14,16-17,22H,4-10,15,18-21,23H2,1-3H3,(H,31,36)(H,32,35)