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

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 5-[(3-bromobenzoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholinopropyl)benzamide Formula: C30H33BrN4O3 MolecularWeight: 577.51202

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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(=CC=C4)Br)C(=O)NCCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Br)C(=O)NCCCN5CCOCC5

InChI

InChI=1S/C30H33BrN4O3/c31-25-8-3-7-23(19-25)29(36)33-26-9-10-28(35-14-11-22-5-1-2-6-24(22)21-35)27(20-26)30(37)32-12-4-13-34-15-17-38-18-16-34/h1-3,5-10,19-20H,4,11-18,21H2,(H,32,37)(H,33,36)