2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylmethoxyethanoylamino)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(2-phenylmethoxyethanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-[(2-benzyloxyacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(1-oxo-2-phenylmethoxyethyl)amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-[(2-benzoxyacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)COCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)COCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H30N4O3/c36-30(22-38-21-23-7-2-1-3-8-23)34-27-12-13-29(35-16-14-25-10-4-5-11-26(25)20-35)28(17-27)31(37)33-19-24-9-6-15-32-18-24/h1-13,15,17-18H,14,16,19-22H2,(H,33,37)(H,34,36)