1-cyclohexyl-3-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-cyclohexyl-3-[6-[4-(2-methylphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-cyclohexyl-3-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-cyclohexyl-3-[6-[4-[(2-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-cyclohexyl-3-[6-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-cyclohexyl-3-[6-(4-o-toluoyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C25H33N5O2/c1-19-8-5-6-11-22(19)24(31)30-15-7-14-29(16-17-30)23-13-12-21(18-26-23)28-25(32)27-20-9-3-2-4-10-20/h5-6,8,11-13,18,20H,2-4,7,9-10,14-17H2,1H3,(H2,27,28,32)