1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-2-oxo-3-azepanyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-2-oxoazepan-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-keto-ethyl]-2-keto-azepan-3-yl]-3-(m-tolyl)urea Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)N3CCC=CC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCCN(C2=O)CC(=O)N3CCC=CC3

InChI

InChI=1S/C21H28N4O3/c1-16-8-7-9-17(14-16)22-21(28)23-18-10-3-6-13-25(20(18)27)15-19(26)24-11-4-2-5-12-24/h2,4,7-9,14,18H,3,5-6,10-13,15H2,1H3,(H2,22,23,28)