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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-butoxyphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-butoxyphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(4-butoxyphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-butoxyphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-butoxyphenyl)urea Formula: C24H36N4O2 MolecularWeight: 412.56824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C24H36N4O2/c1-3-4-18-30-21-13-11-20(12-14-21)26-24(29)25-19-23(22-10-9-15-27(22)2)28-16-7-5-6-8-17-28/h9-15,23H,3-8,16-19H2,1-2H3,(H2,25,26,29)