5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-(1-piperidyl)benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidino-benzamide Formula: C27H29BrN4O2 MolecularWeight: 521.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Br)N4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Br)N4CCCCC4

InChI

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