[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C28H22N4O3/c29-14-6-16-32(17-7-15-30)27(33)19-35-28(34)24-18-26(31-25-13-4-3-11-23(24)25)22-12-5-9-20-8-1-2-10-21(20)22/h1-5,8-13,18H,6-7,16-17,19H2