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

Systemtic Name: 1-(3-methylphenyl)-3-[1-[2-(2-methylpyrrolidin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]urea Openeye Name: 1-[1-[2-(2-methylpyrrolidin-1-yl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[1-[2-(2-methyl-1-pyrrolidinyl)-2-oxoethyl]-2-oxo-3-azepanyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-2-oxoazepan-3-yl]urea Traditional Name: 1-[2-keto-1-[2-keto-2-(2-methylpyrrolidino)ethyl]azepan-3-yl]-3-(m-tolyl)urea Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(=O)CN2CCCCC(C2=O)NC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCCN1C(=O)CN2CCCCC(C2=O)NC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C21H30N4O3/c1-15-7-5-9-17(13-15)22-21(28)23-18-10-3-4-11-24(20(18)27)14-19(26)25-12-6-8-16(25)2/h5,7,9,13,16,18H,3-4,6,8,10-12,14H2,1-2H3,(H2,22,23,28)