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

Systemtic Name: 1-[6-[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[6-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-(m-tolyl)urea CAS Name: 1-[6-[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[6-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[6-(4-m-anisoyl-1,4-diazepan-1-yl)-3-pyridyl]-3-(m-tolyl)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=C4)OC

Isomeric SMILES

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

InChI

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