2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylbenzoyl)amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-ethylphenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-ethylbenzoyl)amino]-N-(3-pyridylmethyl)benzamide Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H30N4O2/c1-2-22-9-11-25(12-10-22)30(36)34-27-13-14-29(35-17-15-24-7-3-4-8-26(24)21-35)28(18-27)31(37)33-20-23-6-5-16-32-19-23/h3-14,16,18-19H,2,15,17,20-21H2,1H3,(H,33,37)(H,34,36)