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

Systemtic Name: 1-[[4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]methylurea CAS Name: [4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]methylurea Traditional Name: [4-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzyl]urea Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-28-19-12-10-17(11-13-19)20-5-3-2-4-14-25(20)21(26)18-8-6-16(7-9-18)15-24-22(23)27/h6-13,20H,2-5,14-15H2,1H3,(H3,23,24,27)