1-cyano-2-[2-oxidanylidene-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]azepan-3-yl]-3-phenyl-guanidine

Systemtic Name: 1-cyano-2-[2-oxidanylidene-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]azepan-3-yl]-3-phenyl-guanidine Openeye Name: 2-[1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]-1-cyano-3-phenyl-guanidine CAS Name: 1-cyano-2-[2-oxo-1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-azepanyl]-3-phenylguanidine IUPAC Name: 2-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-oxoazepan-3-yl]-1-cyano-3-phenylguanidine Traditional Name: 2-[1-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-keto-azepan-3-yl]-1-cyano-3-phenyl-guanidine Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N7O2/c28-21-29-27(30-23-11-5-2-6-12-23)31-24-13-7-8-14-34(26(24)36)20-25(35)33-17-15-32(16-18-33)19-22-9-3-1-4-10-22/h1-6,9-12,24H,7-8,13-20H2,(H2,29,30,31)