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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(2-methylpropanoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[6-[4-(2-methylpropanoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-(2,5-dimethylphenyl)-3-[6-(4-isobutyrylpiperazino)-3-pyridyl]urea Formula: C22H29N5O2 MolecularWeight: 395.49796

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-15(2)21(28)27-11-9-26(10-12-27)20-8-7-18(14-23-20)24-22(29)25-19-13-16(3)5-6-17(19)4/h5-8,13-15H,9-12H2,1-4H3,(H2,24,25,29)