1-anthracen-2-yl-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-anthracen-2-yl-3-cyano-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(2-anthryl)-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(2-anthracenyl)-3-cyano-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-anthracen-2-yl-3-cyano-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-(2-anthryl)-3-cyano-2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]guanidine Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=CC4=CC=CC=C4C=C3C=C2)CC(=O)N5CCCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)NC2=CC3=CC4=CC=CC=C4C=C3C=C2)CC(=O)N5CCCC5

InChI

InChI=1S/C28H30N6O2/c29-19-30-28(31-24-11-10-22-15-20-7-1-2-8-21(20)16-23(22)17-24)32-25-9-3-4-14-34(27(25)36)18-26(35)33-12-5-6-13-33/h1-2,7-8,10-11,15-17,25H,3-6,9,12-14,18H2,(H2,30,31,32)