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

Systemtic Name: 3-carbamimidoyl-N-[(1R)-2-oxidanylidene-1-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-3-carbamimidoyl-benzamide CAS Name: 3-carbamimidoyl-N-[(1R)-2-oxo-1-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[(1R)-2-(4-benzylpiperazino)-2-keto-1-phenyl-ethyl]benzamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H29N5O2/c28-25(29)22-12-7-13-23(18-22)26(33)30-24(21-10-5-2-6-11-21)27(34)32-16-14-31(15-17-32)19-20-8-3-1-4-9-20/h1-13,18,24H,14-17,19H2,(H3,28,29)(H,30,33)/t24-/m1/s1