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

Systemtic Name: 1-[6-[4-(2-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(m-tolyl)urea CAS Name: 1-[6-[4-[(2-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[6-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-(m-tolyl)-3-[6-(4-o-anisoyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C26H29N5O3 MolecularWeight: 459.54016

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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=C4OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29N5O3/c1-19-7-5-8-20(17-19)28-26(33)29-21-11-12-24(27-18-21)30-13-6-14-31(16-15-30)25(32)22-9-3-4-10-23(22)34-2/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H2,28,29,33)