(phenylmethyl) N-[(2S)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]ethyl]carbamic acid benzyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1C2=CC=CN2C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1C2=CC=CN2C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-17(23-22(27)28-16-18-10-5-3-6-11-18)21(26)25-15-8-4-7-12-20(25)19-13-9-14-24(19)2/h3,5-6,9-11,13-14,17,20H,4,7-8,12,15-16H2,1-2H3,(H,23,27)/t17-,20?/m0/s1