2-[(4-bromophenyl)carbamoylamino]-N-(2-oxidanylideneazepan-3-yl)-3-phenyl-propanamide

Systemtic Name: 2-[(4-bromophenyl)carbamoylamino]-N-(2-oxidanylideneazepan-3-yl)-3-phenyl-propanamide Openeye Name: 2-[(4-bromophenyl)carbamoylamino]-N-(2-oxoazepan-3-yl)-3-phenyl-propanamide CAS Name: 2-[[(4-bromoanilino)-oxomethyl]amino]-N-(2-oxo-3-azepanyl)-3-phenylpropanamide IUPAC Name: 2-[(4-bromophenyl)carbamoylamino]-N-(2-oxoazepan-3-yl)-3-phenylpropanamide Traditional Name: 2-[(4-bromophenyl)carbamoylamino]-N-(2-ketoazepan-3-yl)-3-phenyl-propionamide Formula: C22H25BrN4O3 MolecularWeight: 473.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN4O3/c23-16-9-11-17(12-10-16)25-22(30)27-19(14-15-6-2-1-3-7-15)21(29)26-18-8-4-5-13-24-20(18)28/h1-3,6-7,9-12,18-19H,4-5,8,13-14H2,(H,24,28)(H,26,29)(H2,25,27,30)