5-[(2-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide

Systemtic Name: 5-[(2-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(2-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-(1-piperidyl)benzamide CAS Name: 5-[[(2-bromoanilino)-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(2-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[(2-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidino-benzamide Formula: C27H29BrN4O2 MolecularWeight: 521.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Br)N4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Br)N4CCCCC4

InChI

InChI=1S/C27H29BrN4O2/c1-19(20-10-4-2-5-11-20)29-26(33)22-18-21(14-15-25(22)32-16-8-3-9-17-32)30-27(34)31-24-13-7-6-12-23(24)28/h2,4-7,10-15,18-19H,3,8-9,16-17H2,1H3,(H,29,33)(H2,30,31,34)