1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-p-anisyl-urea Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NCC2=CC=C(C=C2)OC)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NCC2=CC=C(C=C2)OC)N3CCCCCC3

InChI

InChI=1S/C22H32N4O2/c1-25-13-7-8-20(25)21(26-14-5-3-4-6-15-26)17-24-22(27)23-16-18-9-11-19(28-2)12-10-18/h7-13,21H,3-6,14-17H2,1-2H3,(H2,23,24,27)