1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 1-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C22H18N4O2/c1-25-15-21(27)26(20-9-3-2-8-18(20)22(25)28)13-5-6-16-10-11-17-7-4-12-23-24-19(17)14-16/h2-4,7-12,14,24H,13,15H2,1H3