1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1-naphthylmethyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(1-naphthalenylmethyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(naphthalen-1-ylmethyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(1-naphthylmethyl)urea Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)NCC2=CC=CC3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)NCC2=CC=CC3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C25H32N4O/c1-28-15-9-14-23(28)24(29-16-6-2-3-7-17-29)19-27-25(30)26-18-21-12-8-11-20-10-4-5-13-22(20)21/h4-5,8-15,24H,2-3,6-7,16-19H2,1H3,(H2,26,27,30)