1-[(4-methylphenyl)methyl]-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-[6-(4-isobutylpiperazin-1-yl)-3-pyridyl]-3-(p-tolylmethyl)urea CAS Name: 1-[(4-methylphenyl)methyl]-3-[6-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-[6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-[6-(4-isobutylpiperazino)-3-pyridyl]-3-(4-methylbenzyl)urea Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O/c1-17(2)16-26-10-12-27(13-11-26)21-9-8-20(15-23-21)25-22(28)24-14-19-6-4-18(3)5-7-19/h4-9,15,17H,10-14,16H2,1-3H3,(H2,24,25,28)