1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]urea CAS Name: 1-[2-[2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]urea Traditional Name: 1-benzyl-3-[2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]urea Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-29-20-13-11-19(12-14-20)21-10-6-3-7-15-26(21)22(27)17-25-23(28)24-16-18-8-4-2-5-9-18/h2,4-5,8-9,11-14,21H,3,6-7,10,15-17H2,1H3,(H2,24,25,28)