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

Systemtic Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-oxobutylamino)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-(butanoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-butyramido-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C26H28N4O2 MolecularWeight: 428.52612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-2-6-25(31)29-22-10-11-24(30-14-12-20-8-3-4-9-21(20)18-30)23(15-22)26(32)28-17-19-7-5-13-27-16-19/h3-5,7-11,13,15-16H,2,6,12,14,17-18H2,1H3,(H,28,32)(H,29,31)