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

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(4-tert-butylbenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C33H34N4O2 MolecularWeight: 518.64866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H34N4O2/c1-33(2,3)27-12-10-25(11-13-27)31(38)36-28-14-15-30(37-18-16-24-8-4-5-9-26(24)22-37)29(19-28)32(39)35-21-23-7-6-17-34-20-23/h4-15,17,19-20H,16,18,21-22H2,1-3H3,(H,35,39)(H,36,38)