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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,4-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(3,4-dimethylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,4-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5)C

InChI

InChI=1S/C31H31N5O2/c1-21-9-10-26(16-22(21)2)34-31(38)35-27-11-12-29(36-15-13-24-7-3-4-8-25(24)20-36)28(17-27)30(37)33-19-23-6-5-14-32-18-23/h3-12,14,16-18H,13,15,19-20H2,1-2H3,(H,33,37)(H2,34,35,38)