4-[4-oxidanylidene-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid; piperazine

Systemtic Name: 4-[4-oxidanylidene-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid; piperazine Openeye Name: 4-[4-oxo-2-[(E)-styryl]quinazolin-3-yl]benzoic acid; piperazine CAS Name: 4-[4-oxo-2-[(E)-2-phenylethenyl]-3-quinazolinyl]benzoic acid; piperazine IUPAC Name: 4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid; piperazine Traditional Name: 4-[4-keto-2-[(E)-styryl]quinazolin-3-yl]benzoic acid; piperazine Formula: C50H42N6O6 MolecularWeight: 822.90508

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O.C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1NCCNC1.C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O.C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/2C23H16N2O3.C4H10N2/c2*26-22-19-8-4-5-9-20(19)24-21(15-10-16-6-2-1-3-7-16)25(22)18-13-11-17(12-14-18)23(27)28;1-2-6-4-3-5-1/h2*1-15H,(H,27,28);5-6H,1-4H2/b2*15-10+;