N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylphenyl)carbonylamino]benzamide

Systemtic Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylphenyl)carbonylamino]benzamide Openeye Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]benzamide CAS Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-(4-pentylphenyl)methyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]benzamide Traditional Name: 5-[(4-amylbenzoyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

InChI

InChI=1S/C31H35N3O2/c1-2-3-4-7-22-10-12-24(13-11-22)30(35)33-27-16-17-29(28(20-27)31(36)32-26-14-15-26)34-19-18-23-8-5-6-9-25(23)21-34/h5-6,8-13,16-17,20,26H,2-4,7,14-15,18-19,21H2,1H3,(H,32,36)(H,33,35)