1-(3-cyanophenyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[4-(4-o-toluoylpiperazino)phenyl]urea Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H25N5O2/c1-19-5-2-3-8-24(19)25(32)31-15-13-30(14-16-31)23-11-9-21(10-12-23)28-26(33)29-22-7-4-6-20(17-22)18-27/h2-12,17H,13-16H2,1H3,(H2,28,29,33)