1-[6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-(4-propan-2-ylphenyl)urea

Systemtic Name: 1-[6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-(4-propan-2-ylphenyl)urea Openeye Name: 1-(4-isopropylphenyl)-3-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-(4-propan-2-ylphenyl)urea IUPAC Name: 1-[6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridin-3-yl]-3-(4-propan-2-ylphenyl)urea Traditional Name: 1-p-cumenyl-3-[6-(4-p-toluoylpiperazino)-3-pyridyl]urea Formula: C27H31N5O2 MolecularWeight: 457.56734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H31N5O2/c1-19(2)21-8-10-23(11-9-21)29-27(34)30-24-12-13-25(28-18-24)31-14-16-32(17-15-31)26(33)22-6-4-20(3)5-7-22/h4-13,18-19H,14-17H2,1-3H3,(H2,29,30,34)