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

Systemtic Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-tert-butylphenyl)urea Formula: C24H36N4O MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O/c1-24(2,3)19-11-13-20(14-12-19)26-23(29)25-18-22(21-10-9-15-27(21)4)28-16-7-5-6-8-17-28/h9-15,22H,5-8,16-18H2,1-4H3,(H2,25,26,29)