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

Systemtic Name: 1-cyclohexyl-3-[6-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-cyclohexyl-3-[6-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-cyclohexyl-3-[6-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-cyclohexyl-3-[6-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-cyclohexyl-3-[6-(4-m-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(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4CCCCC4

InChI

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