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

Systemtic Name: 1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-[3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-benzyl-3-[3-keto-3-[4-(m-tolyl)piperazino]propyl]urea Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c1-18-6-5-9-20(16-18)25-12-14-26(15-13-25)21(27)10-11-23-22(28)24-17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H2,23,24,28)