1-[2-(azepan-1-yl)phenyl]-3-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)urea

Systemtic Name: 1-[2-(azepan-1-yl)phenyl]-3-(1-imidazol-1-yl-3,3-dimethyl-butan-2-yl)urea Openeye Name: 1-[2-(azepan-1-yl)phenyl]-3-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]urea CAS Name: 1-[2-(1-azepanyl)phenyl]-3-[1-(1-imidazolyl)-3,3-dimethylbutan-2-yl]urea IUPAC Name: 1-[2-(azepan-1-yl)phenyl]-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea Traditional Name: 1-[2-(azepan-1-yl)phenyl]-3-[1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]urea Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CC(C)(C)C(CN1C=CN=C1)NC(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C22H33N5O/c1-22(2,3)20(16-26-15-12-23-17-26)25-21(28)24-18-10-6-7-11-19(18)27-13-8-4-5-9-14-27/h6-7,10-12,15,17,20H,4-5,8-9,13-14,16H2,1-3H3,(H2,24,25,28)