(Z)-4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazino]but-2-enoic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C(=O)/C=C\C(=O)O

InChI

InChI=1S/C23H22N4O3/c1-16-7-8-19-18(15-16)22(17-5-3-2-4-6-17)25-23(24-19)27-13-11-26(12-14-27)20(28)9-10-21(29)30/h2-10,15H,11-14H2,1H3,(H,29,30)/b10-9-