2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one Openeye Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one CAS Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one Traditional Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-1H-quinazolin-4-one Formula: C20H14N4O MolecularWeight: 326.35136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C20H14N4O/c25-20-16-7-1-2-8-17(16)22-19(23-20)9-3-5-14-10-11-15-6-4-12-21-24-18(15)13-14/h1-2,4,6-8,10-13,24H,9H2,(H,22,23,25)