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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-methylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(o-tolyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(o-tolyl)urea Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3

InChI

InChI=1S/C21H30N4O/c1-17-10-5-6-11-18(17)23-21(26)22-16-20(19-12-9-13-24(19)2)25-14-7-3-4-8-15-25/h5-6,9-13,20H,3-4,7-8,14-16H2,1-2H3,(H2,22,23,26)