[3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] N-[(2S)-1-(1H-imidazol-5-yl)-3-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] N-[(2S)-1-(1H-imidazol-5-yl)-3-oxidanylidene-butan-2-yl]carbamate Openeye Name: [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] N-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-oxo-propyl]carbamate CAS Name: N-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]carbamic acid [3-(3-ethyl-1-methyl-3-azepanyl)phenyl] ester IUPAC Name: [3-(3-ethyl-1-methylazepan-3-yl)phenyl] N-[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-keto-propyl]carbamic acid [3-(3-ethyl-1-methyl-azepan-3-yl)phenyl] ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(CC3=CN=CN3)C(=O)C

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@@H](CC3=CN=CN3)C(=O)C

InChI

InChI=1S/C23H32N4O3/c1-4-23(10-5-6-11-27(3)15-23)18-8-7-9-20(12-18)30-22(29)26-21(17(2)28)13-19-14-24-16-25-19/h7-9,12,14,16,21H,4-6,10-11,13,15H2,1-3H3,(H,24,25)(H,26,29)/t21-,23?/m0/s1