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

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-3-azanyl-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-3-amino-5,9-dimethyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-amino-5,9-dimethyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-amino-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-3-amino-5,9-dimethyl-3H-1,4-benzodiazepin-2-one Formula: C23H29N3O2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)N)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)N)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2/c1-13-4-3-5-18-14(2)25-21(24)22(28)26(20(13)18)12-19(27)23-9-15-6-16(10-23)8-17(7-15)11-23/h3-5,15-17,21H,6-12,24H2,1-2H3