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

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C29H32BrN5O3 MolecularWeight: 578.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Br)C(=O)NCCN5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Br)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C29H32BrN5O3/c30-23-5-7-24(8-6-23)32-29(37)33-25-9-10-27(35-13-11-21-3-1-2-4-22(21)20-35)26(19-25)28(36)31-12-14-34-15-17-38-18-16-34/h1-10,19H,11-18,20H2,(H,31,36)(H2,32,33,37)