1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one

Systemtic Name: 1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one Openeye Name: 1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one CAS Name: 1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one IUPAC Name: 1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one Traditional Name: 1-(4-hept-1-ynylphenyl)-7,8-dimethoxy-3-methyl-5H-2,3-benzodiazepin-4-one Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=C(C=C1)C2=NN(C(=O)CC3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CCCCCC#CC1=CC=C(C=C1)C2=NN(C(=O)CC3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C25H28N2O3/c1-5-6-7-8-9-10-18-11-13-19(14-12-18)25-21-17-23(30-4)22(29-3)15-20(21)16-24(28)27(2)26-25/h11-15,17H,5-8,16H2,1-4H3