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

Systemtic Name: 1-(3-methylphenyl)-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-(m-tolyl)urea CAS Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)pyridin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridyl]-3-(m-tolyl)urea Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-19-7-5-10-21(17-19)27-25(32)28-22-11-12-23(26-18-22)29-13-6-14-30(16-15-29)24(31)20-8-3-2-4-9-20/h2-5,7-12,17-18H,6,13-16H2,1H3,(H2,27,28,32)