3-carbamimidoyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3-carbamimidoyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]benzamide Openeye Name: N-[(1R)-2-(4-benzoylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-3-carbamimidoyl-benzamide CAS Name: N-[(1R)-2-(4-benzoyl-1-piperazinyl)-2-oxo-1-phenylethyl]-3-carbamimidoylbenzamide IUPAC Name: N-[(1R)-2-(4-benzoylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[(1R)-2-(4-benzoylpiperazino)-2-keto-1-phenyl-ethyl]benzamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H27N5O3/c28-24(29)21-12-7-13-22(18-21)25(33)30-23(19-8-3-1-4-9-19)27(35)32-16-14-31(15-17-32)26(34)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H3,28,29)(H,30,33)/t23-/m1/s1