1-[1-(3-methylphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]urea

Systemtic Name: 1-[1-(3-methylphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]urea Openeye Name: [3-(4-benzyl-1,4-diazepan-1-yl)-1-(m-tolyl)-3-oxo-propyl]urea CAS Name: [1-(3-methylphenyl)-3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]urea IUPAC Name: [3-(4-benzyl-1,4-diazepan-1-yl)-1-(3-methylphenyl)-3-oxopropyl]urea Traditional Name: [3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-1-(m-tolyl)propyl]urea Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)N2CCCN(CC2)CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)N2CCCN(CC2)CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C23H30N4O2/c1-18-7-5-10-20(15-18)21(25-23(24)29)16-22(28)27-12-6-11-26(13-14-27)17-19-8-3-2-4-9-19/h2-5,7-10,15,21H,6,11-14,16-17H2,1H3,(H3,24,25,29)