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

Systemtic Name: 5-[(3-bromophenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(3-bromophenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide CAS Name: 5-[[(3-bromoanilino)-oxomethyl]amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: 5-[(3-bromophenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(3-bromophenyl)carbamoylamino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C26H25BrN4O2 MolecularWeight: 505.4063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Br)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)Br)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H25BrN4O2/c27-19-6-3-7-21(14-19)29-26(33)30-22-10-11-24(23(15-22)25(32)28-20-8-9-20)31-13-12-17-4-1-2-5-18(17)16-31/h1-7,10-11,14-15,20H,8-9,12-13,16H2,(H,28,32)(H2,29,30,33)