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

Systemtic Name: 1-cyano-3-naphthalen-2-yl-2-[(3S)-2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-naphthyl)-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-naphthalenyl)-2-[(3S)-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-naphthalen-2-yl-2-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-2-[(3S)-2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3-(2-naphthyl)guanidine Formula: C24H28N6O2 MolecularWeight: 432.51812

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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)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)N=C(NC#N)NC2=CC3=CC=CC=C3C=C2)CC(=O)N4CCCC4

InChI

InChI=1S/C24H28N6O2/c25-17-26-24(27-20-11-10-18-7-1-2-8-19(18)15-20)28-21-9-3-4-14-30(23(21)32)16-22(31)29-12-5-6-13-29/h1-2,7-8,10-11,15,21H,3-6,9,12-14,16H2,(H2,26,27,28)/t21-/m0/s1