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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxooctylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(octanoylamino)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(caprylylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C30H36N4O2 MolecularWeight: 484.63244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C30H36N4O2/c1-2-3-4-5-6-13-29(35)33-26-14-15-28(34-18-16-24-11-7-8-12-25(24)22-34)27(19-26)30(36)32-21-23-10-9-17-31-20-23/h7-12,14-15,17,19-20H,2-6,13,16,18,21-22H2,1H3,(H,32,36)(H,33,35)