(3S)-3-azanyl-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-3-azanyl-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-amino-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-3-amino-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-amino-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-amino-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C16H21N3O MolecularWeight: 271.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3CCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)N)C3CCCCC3

InChI

InChI=1S/C16H21N3O/c1-19-13-10-6-5-9-12(13)14(18-15(17)16(19)20)11-7-3-2-4-8-11/h5-6,9-11,15H,2-4,7-8,17H2,1H3/t15-/m0/s1