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

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

CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCCCC1=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/c1-2-3-7-24-11-13-27(14-12-24)32(38)36-29-15-16-31(37-19-17-26-9-4-5-10-28(26)23-37)30(20-29)33(39)35-22-25-8-6-18-34-21-25/h4-6,8-16,18,20-21H,2-3,7,17,19,22-23H2,1H3,(H,35,39)(H,36,38)