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

Systemtic Name: 1-(3-methylphenyl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-(m-tolyl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]guanidine CAS Name: 1-(3-methylphenyl)-2-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-(3-methylphenyl)-2-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine Traditional Name: 2-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-1-(m-tolyl)guanidine Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2CCCCN(C2=O)CC(=O)N3CCCC3)N

InChI

InChI=1S/C20H29N5O2/c1-15-7-6-8-16(13-15)22-20(21)23-17-9-2-3-12-25(19(17)27)14-18(26)24-10-4-5-11-24/h6-8,13,17H,2-5,9-12,14H2,1H3,(H3,21,22,23)