4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carbonitrile

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-2-oxidanylidene-quinoline-3-carbonitrile Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidyl)amino]-6-chloro-1-methyl-2-oxo-quinoline-3-carbonitrile CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidinyl)amino]-6-chloro-1-methyl-2-oxo-3-quinolinecarbonitrile IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloro-1-methyl-2-oxoquinoline-3-carbonitrile Traditional Name: 6-chloro-2-keto-1-methyl-4-[4-piperidyl(piperonyl)amino]quinoline-3-carbonitrile Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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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=C(C=C3)OCO4)C5CCNCC5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C#N)N(CC3=CC4=C(C=C3)OCO4)C5CCNCC5

InChI

InChI=1S/C24H23ClN4O3/c1-28-20-4-3-16(25)11-18(20)23(19(12-26)24(28)30)29(17-6-8-27-9-7-17)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-11,17,27H,6-9,13-14H2,1H3