3-azanyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-9-methyl-5-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(2-cyclohexyl-2-oxidanylidene-ethyl)-9-methyl-5-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(2-cyclohexyl-2-oxo-ethyl)-5-isobutyl-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(2-cyclohexyl-2-oxoethyl)-9-methyl-5-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(2-cyclohexyl-2-oxoethyl)-9-methyl-5-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(2-cyclohexyl-2-keto-ethyl)-5-isobutyl-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2CC(C)C)N)CC(=O)C3CCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2CC(C)C)N)CC(=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O2/c1-14(2)12-18-17-11-7-8-15(3)20(17)25(22(27)21(23)24-18)13-19(26)16-9-5-4-6-10-16/h7-8,11,14,16,21H,4-6,9-10,12-13,23H2,1-3H3