4-[(2E)-4-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine

Systemtic Name: 4-[(2E)-4-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine Openeye Name: 4-[(2E)-4-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine CAS Name: 4-[(2E)-4-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine IUPAC Name: 4-[(2E)-4-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine Traditional Name: 4-[(2E)-4-keto-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-3-yl]benzoic acid; piperazine Formula: C46H38N6O8 MolecularWeight: 802.82932

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN1.C1=CC=C2C(=C1)C(=O)N(C(=C3C=CC=CC3=O)N2)C4=CC=C(C=C4)C(=O)O.C1=CC=C2C(=C1)C(=O)N(C(=C3C=CC=CC3=O)N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1NCCNC1.C1=CC=C2N/C(=C/3\C(=O)C=CC=C3)/N(C(=O)C2=C1)C4=CC=C(C=C4)C(=O)O.C1=CC=C2N/C(=C/3\C(=O)C=CC=C3)/N(C(=O)C2=C1)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/2C21H14N2O4.C4H10N2/c2*24-18-8-4-2-6-16(18)19-22-17-7-3-1-5-15(17)20(25)23(19)14-11-9-13(10-12-14)21(26)27;1-2-6-4-3-5-1/h2*1-12,22H,(H,26,27);5-6H,1-4H2/b2*19-16+;