2-[4-[(3Z)-3-cyano-2-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-ylidene)propyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[(3Z)-3-cyano-2-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-ylidene)propyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(3Z)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)propyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3Z)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)propyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(3Z)-3-cyano-2-oxo-3-(4-oxo-1H-quinazolin-2-ylidene)propyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(3Z)-3-cyano-2-keto-3-(4-keto-1H-quinazolin-2-ylidene)propyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25N6O3+ MolecularWeight: 409.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3C(=O)N2)C#N

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)CC(=O)/C(=C\2/NC3=CC=CC=C3C(=O)N2)/C#N

InChI

InChI=1S/C21H24N6O3/c1-2-7-23-19(29)14-27-10-8-26(9-11-27)13-18(28)16(12-22)20-24-17-6-4-3-5-15(17)21(30)25-20/h2-6,24H,1,7-11,13-14H2,(H,23,29)(H,25,30)/p+1/b20-16-