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

Systemtic Name: 1-cyclohexyl-3-[6-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-3-cyclohexyl-urea CAS Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-3-cyclohexylurea IUPAC Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)pyridin-3-yl]-3-cyclohexylurea Traditional Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-3-cyclohexyl-urea Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c30-23(19-8-3-1-4-9-19)29-15-7-14-28(16-17-29)22-13-12-21(18-25-22)27-24(31)26-20-10-5-2-6-11-20/h1,3-4,8-9,12-13,18,20H,2,5-7,10-11,14-17H2,(H2,26,27,31)