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

Systemtic Name: 3-azanyl-5-cyclohexyl-1-(2-cyclopropyl-2-oxidanylidene-ethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-cyclohexyl-1-(2-cyclopropyl-2-oxo-ethyl)-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-cyclohexyl-1-(2-cyclopropyl-2-oxoethyl)-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-cyclohexyl-1-(2-cyclopropyl-2-oxoethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-cyclohexyl-1-(2-cyclopropyl-2-keto-ethyl)-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)C4CC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)C4CC4

InChI

InChI=1S/C21H27N3O2/c1-13-6-5-9-16-18(15-7-3-2-4-8-15)23-20(22)21(26)24(19(13)16)12-17(25)14-10-11-14/h5-6,9,14-15,20H,2-4,7-8,10-12,22H2,1H3