1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethylphenyl)urea

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(3,5-dimethylphenyl)urea Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NCC(C2=CC=CN2C)N3CCCCCC3)C

InChI

InChI=1S/C22H32N4O/c1-17-13-18(2)15-19(14-17)24-22(27)23-16-21(20-9-8-10-25(20)3)26-11-6-4-5-7-12-26/h8-10,13-15,21H,4-7,11-12,16H2,1-3H3,(H2,23,24,27)