6-[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]hex-2-ynenitrile

Systemtic Name: 6-[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]hex-2-ynenitrile Openeye Name: 6-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]hex-2-ynenitrile CAS Name: 6-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]-2-hexynenitrile IUPAC Name: 6-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]hex-2-ynenitrile Traditional Name: 6-[3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)phenyl]hex-2-ynenitrile Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)CCCC#CC#N

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=CC=C3)CCCC#CC#N

InChI

InChI=1S/C24H23N3O3/c1-27-20-15-22(30-3)21(29-2)14-19(20)24(26-16-23(27)28)18-11-8-10-17(13-18)9-6-4-5-7-12-25/h8,10-11,13-15H,4,6,9,16H2,1-3H3