1-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-3-phenyl-urea

Systemtic Name: 1-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]-3-phenyl-urea Openeye Name: 1-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]-3-phenyl-urea CAS Name: 1-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-3-phenylurea IUPAC Name: 1-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]-3-phenylurea Traditional Name: 1-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]-3-phenyl-urea Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-24-15-8-12-18(24)19-11-6-3-7-16-25(19)20(26)13-14-22-21(27)23-17-9-4-2-5-10-17/h2,4-5,8-10,12,15,19H,3,6-7,11,13-14,16H2,1H3,(H2,22,23,27)