1-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methylurea CAS Name: [4-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methylurea Traditional Name: [4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzyl]urea Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C20H26N4O2/c1-23-12-5-7-17(23)18-6-3-2-4-13-24(18)19(25)16-10-8-15(9-11-16)14-22-20(21)26/h5,7-12,18H,2-4,6,13-14H2,1H3,(H3,21,22,26)