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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(phenylmethyl)carbamoylamino]benzamide Openeye Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]-5-[[oxo-[(phenylmethyl)amino]methyl]amino]benzamide IUPAC Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-(benzylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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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)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CC=C4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C30H35N5O3/c36-29(31-13-15-34-16-18-38-19-17-34)27-20-26(33-30(37)32-21-23-6-2-1-3-7-23)10-11-28(27)35-14-12-24-8-4-5-9-25(24)22-35/h1-11,20H,12-19,21-22H2,(H,31,36)(H2,32,33,37)