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

Systemtic Name: 1-cyclohexyl-3-[6-[4-(2-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-cyclohexyl-3-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-cyclohexyl-3-[6-[4-[(2-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-cyclohexyl-3-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-cyclohexyl-3-[6-(4-o-anisoyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C25H33N5O3/c1-33-22-11-6-5-10-21(22)24(31)30-15-7-14-29(16-17-30)23-13-12-20(18-26-23)28-25(32)27-19-8-3-2-4-9-19/h5-6,10-13,18-19H,2-4,7-9,14-17H2,1H3,(H2,27,28,32)