[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c33-29(32-18-8-1-2-9-19-32)21-35-30(34)26-20-28(31-27-13-7-6-12-25(26)27)24-16-14-23(15-17-24)22-10-4-3-5-11-22/h3-7,10-17,20H,1-2,8-9,18-19,21H2