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

Systemtic Name: 1-(3-methoxyphenyl)-3-[6-[4-(2-methylphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[6-[4-(2-methylbenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[6-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[6-[4-(2-methylbenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[6-(4-o-toluoylpiperazino)-3-pyridyl]urea Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-18-6-3-4-9-22(18)24(31)30-14-12-29(13-15-30)23-11-10-20(17-26-23)28-25(32)27-19-7-5-8-21(16-19)33-2/h3-11,16-17H,12-15H2,1-2H3,(H2,27,28,32)