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

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-[(4-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C29H31BrN4O3 MolecularWeight: 563.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31BrN4O3/c30-24-7-5-22(6-8-24)28(35)32-25-9-10-27(34-13-11-21-3-1-2-4-23(21)20-34)26(19-25)29(36)31-12-14-33-15-17-37-18-16-33/h1-10,19H,11-18,20H2,(H,31,36)(H,32,35)