6-chloranyl-1-methyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxidanylidene-quinoline-3-carbonitrile

Systemtic Name: 6-chloranyl-1-methyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxidanylidene-quinoline-3-carbonitrile Openeye Name: 6-chloro-1-methyl-4-[2-naphthylmethyl(4-piperidyl)amino]-2-oxo-quinoline-3-carbonitrile CAS Name: 6-chloro-1-methyl-4-[2-naphthalenylmethyl(4-piperidinyl)amino]-2-oxo-3-quinolinecarbonitrile IUPAC Name: 6-chloro-1-methyl-4-[naphthalen-2-ylmethyl(piperidin-4-yl)amino]-2-oxoquinoline-3-carbonitrile Traditional Name: 6-chloro-2-keto-1-methyl-4-[2-naphthylmethyl(4-piperidyl)amino]quinoline-3-carbonitrile Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C#N)N(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C#N)N(CC3=CC4=CC=CC=C4C=C3)C5CCNCC5

InChI

InChI=1S/C27H25ClN4O/c1-31-25-9-8-21(28)15-23(25)26(24(16-29)27(31)33)32(22-10-12-30-13-11-22)17-18-6-7-19-4-2-3-5-20(19)14-18/h2-9,14-15,22,30H,10-13,17H2,1H3