1-[4-[2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]-3-cyano-2-methyl-guanidine hydrochloride

Systemtic Name: 1-[4-[2-azanyl-3-(2-cyanopyrrolidin-1-yl)-3-oxidanylidene-propyl]phenyl]-3-cyano-2-methyl-guanidine hydrochloride Openeye Name: 1-[4-[2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxo-propyl]phenyl]-3-cyano-2-methyl-guanidine hydrochloride CAS Name: 1-[4-[2-amino-3-(2-cyano-1-pyrrolidinyl)-3-oxopropyl]phenyl]-3-cyano-2-methylguanidine hydrochloride IUPAC Name: 1-[4-[2-amino-3-(2-cyanopyrrolidin-1-yl)-3-oxopropyl]phenyl]-3-cyano-2-methylguanidine hydrochloride Traditional Name: 1-[4-[2-amino-3-(2-cyanopyrrolidino)-3-keto-propyl]phenyl]-3-cyano-2-methyl-guanidine hydrochloride Formula: C17H22ClN7O MolecularWeight: 375.85588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)NC1=CC=C(C=C1)CC(C(=O)N2CCCC2C#N)N.Cl

Isomeric SMILES

CN=C(NC#N)NC1=CC=C(C=C1)CC(C(=O)N2CCCC2C#N)N.Cl

InChI

InChI=1S/C17H21N7O.ClH/c1-21-17(22-11-19)23-13-6-4-12(5-7-13)9-15(20)16(25)24-8-2-3-14(24)10-18;/h4-7,14-15H,2-3,8-9,20H2,1H3,(H2,21,22,23);1H