N-(1-cyclohexyl-3-oxidanylidene-propan-2-yl)-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide

Systemtic Name: N-(1-cyclohexyl-3-oxidanylidene-propan-2-yl)-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-(cyclohexylmethyl)-2-oxo-ethyl]-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide CAS Name: N-(1-cyclohexyl-3-oxopropan-2-yl)-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinecarboxamide IUPAC Name: N-(1-cyclohexyl-3-oxopropan-2-yl)-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-ethyl]-2-[7-(diethylaminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]nicotinamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC2=C(CCN(C2)C3=C(C=CC=N3)C(=O)NC(CC4CCCCC4)C=O)C=C1

Isomeric SMILES

CCN(CC)CC1=CC2=C(CCN(C2)C3=C(C=CC=N3)C(=O)NC(CC4CCCCC4)C=O)C=C1

InChI

InChI=1S/C29H40N4O2/c1-3-32(4-2)19-23-12-13-24-14-16-33(20-25(24)17-23)28-27(11-8-15-30-28)29(35)31-26(21-34)18-22-9-6-5-7-10-22/h8,11-13,15,17,21-22,26H,3-7,9-10,14,16,18-20H2,1-2H3,(H,31,35)