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

Systemtic Name: 5-[(2-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 5-[(2-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(2-bromoanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 5-[(2-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 5-[(2-bromophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)benzamide Formula: C27H29BrN4O3 MolecularWeight: 537.44816

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2Br)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2Br)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H29BrN4O3/c1-35-16-6-14-29-26(33)22-17-21(30-27(34)31-24-10-5-4-9-23(24)28)11-12-25(22)32-15-13-19-7-2-3-8-20(19)18-32/h2-5,7-12,17H,6,13-16,18H2,1H3,(H,29,33)(H2,30,31,34)