1-(3-methylphenyl)-3-[2-oxidanylidene-1-[2-oxidanylidene-2-(3-oxidanylpyrrolidin-1-yl)ethyl]azepan-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[2-oxidanylidene-1-[2-oxidanylidene-2-(3-oxidanylpyrrolidin-1-yl)ethyl]azepan-3-yl]urea Openeye Name: 1-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(3-hydroxy-1-pyrrolidinyl)-2-oxoethyl]-2-oxo-3-azepanyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-2-oxoazepan-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(3-hydroxypyrrolidino)-2-keto-ethyl]-2-keto-azepan-3-yl]-3-(m-tolyl)urea Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)N3CCC(C3)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)N3CCC(C3)O

InChI

InChI=1S/C20H28N4O4/c1-14-5-4-6-15(11-14)21-20(28)22-17-7-2-3-9-24(19(17)27)13-18(26)23-10-8-16(25)12-23/h4-6,11,16-17,25H,2-3,7-10,12-13H2,1H3,(H2,21,22,28)