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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-(2,5-dimethylphenyl)-3-[6-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-(2,5-dimethylphenyl)-3-[6-(4-m-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(=CC=C4)OC

Isomeric SMILES

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

InChI

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