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

Systemtic Name: 1-cyano-3-naphthalen-2-yl-2-[2-oxidanylidene-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]azepan-3-yl]guanidine Openeye Name: 2-[1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]-1-cyano-3-(2-naphthyl)guanidine CAS Name: 1-cyano-3-(2-naphthalenyl)-2-[2-oxo-1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-azepanyl]guanidine IUPAC Name: 2-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-oxoazepan-3-yl]-1-cyano-3-naphthalen-2-ylguanidine Traditional Name: 2-[1-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-keto-azepan-3-yl]-1-cyano-3-(2-naphthyl)guanidine Formula: C31H35N7O2 MolecularWeight: 537.6553

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=CC=CC=C3C=C2)CC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=CC=CC=C3C=C2)CC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N7O2/c32-23-33-31(34-27-14-13-25-10-4-5-11-26(25)20-27)35-28-12-6-7-15-38(30(28)40)22-29(39)37-18-16-36(17-19-37)21-24-8-2-1-3-9-24/h1-5,8-11,13-14,20,28H,6-7,12,15-19,21-22H2,(H2,33,34,35)