1-(2,5-dimethylphenyl)-3-[6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-(2,5-dimethylphenyl)-3-[6-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(4-methoxybenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-(2,5-dimethylphenyl)-3-[6-(4-p-anisoylpiperazino)-3-pyridyl]urea Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29N5O3/c1-18-4-5-19(2)23(16-18)29-26(33)28-21-8-11-24(27-17-21)30-12-14-31(15-13-30)25(32)20-6-9-22(34-3)10-7-20/h4-11,16-17H,12-15H2,1-3H3,(H2,28,29,33)