1-[4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]urea Openeye Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]urea CAS Name: [4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]phenyl]urea IUPAC Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]urea Traditional Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]urea Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H25N3O3/c1-27-18-12-8-15(9-13-18)19-5-3-2-4-14-24(19)20(25)16-6-10-17(11-7-16)23-21(22)26/h6-13,19H,2-5,14H2,1H3,(H3,22,23,26)