2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2,6-dimethylanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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