3-azanyl-1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(2-cyclooctyl-2-oxidanylidene-ethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(2-cyclooctyl-2-oxo-ethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(2-cyclooctyl-2-oxoethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(2-cyclooctyl-2-keto-ethyl)-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)N)CC(=O)C3CCCCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)N)CC(=O)C3CCCCCCC3

InChI

InChI=1S/C21H29N3O2/c1-14-9-8-12-17-15(2)23-20(22)21(26)24(19(14)17)13-18(25)16-10-6-4-3-5-7-11-16/h8-9,12,16,20H,3-7,10-11,13,22H2,1-2H3