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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(phenylmethyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C30H29N5O2/c36-29(32-20-23-9-6-15-31-18-23)27-17-26(34-30(37)33-19-22-7-2-1-3-8-22)12-13-28(27)35-16-14-24-10-4-5-11-25(24)21-35/h1-13,15,17-18H,14,16,19-21H2,(H,32,36)(H2,33,34,37)