7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxidanylidene-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxidanylidene-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(1-naphthyl)piperazin-1-yl]-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 7-[4-(1-naphthalenyl)-1-piperazinyl]-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxo-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 4-keto-7-[4-(1-naphthyl)piperazino]-1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Formula: C33H28N6O3 MolecularWeight: 556.61382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C(=CN3C4=CC=C(C=C4)CN5C=NC=N5)C(=O)O)C6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)C(=O)C(=CN3C4=CC=C(C=C4)CN5C=NC=N5)C(=O)O)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C33H28N6O3/c40-32-28-13-12-26(36-14-16-37(17-15-36)30-7-3-5-24-4-1-2-6-27(24)30)18-31(28)39(20-29(32)33(41)42)25-10-8-23(9-11-25)19-38-22-34-21-35-38/h1-13,18,20-22H,14-17,19H2,(H,41,42)