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

Systemtic Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxodecylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-(decanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(caprylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C32H40N4O2 MolecularWeight: 512.6856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N4O2/c1-2-3-4-5-6-7-8-15-31(37)35-28-16-17-30(36-20-18-26-13-9-10-14-27(26)24-36)29(21-28)32(38)34-23-25-12-11-19-33-22-25/h9-14,16-17,19,21-22H,2-8,15,18,20,23-24H2,1H3,(H,34,38)(H,35,37)