1-(3,4-dimethylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(3,4-dimethylphenyl)-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-(3,4-dimethylphenyl)-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(3,4-dimethylphenyl)-3-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]urea Formula: C25H29N5O MolecularWeight: 415.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C25H29N5O/c1-19-6-9-23(17-20(19)2)28-25(31)27-22-10-7-21(8-11-22)18-29-13-15-30(16-14-29)24-5-3-4-12-26-24/h3-12,17H,13-16,18H2,1-2H3,(H2,27,28,31)