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

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[(4-bromophenyl)carbamoylamino]-N-(1-phenylethyl)-2-pyrrolidino-benzamide Formula: C26H27BrN4O2 MolecularWeight: 507.42218

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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=C(C=C3)Br)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Br)N4CCCC4

InChI

InChI=1S/C26H27BrN4O2/c1-18(19-7-3-2-4-8-19)28-25(32)23-17-22(13-14-24(23)31-15-5-6-16-31)30-26(33)29-21-11-9-20(27)10-12-21/h2-4,7-14,17-18H,5-6,15-16H2,1H3,(H,28,32)(H2,29,30,33)