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

Systemtic Name: 1-[3-(1,2-diazepin-1-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[3-(diazepin-1-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 1-[3-(1-diazepinyl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[3-(diazepin-1-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 1-[3-(diazepin-1-yl)prop-2-ynyl]-4-methyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC#CN3C=CC=CC=N3

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC#CN3C=CC=CC=N3

InChI

InChI=1S/C18H16N4O2/c1-20-14-17(23)22(16-9-4-3-8-15(16)18(20)24)13-7-12-21-11-6-2-5-10-19-21/h2-6,8-11H,13-14H2,1H3