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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5

InChI

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