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

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-2-oxidanylidene-1H-quinoline-3-carbonitrile Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-2-oxo-1H-quinoline-3-carbonitrile Traditional Name: 6-chloro-2-keto-4-[(1-piperonyl-4-piperidyl)amino]-1H-quinoline-3-carbonitrile Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C(=O)NC3=C2C=C(C=C3)Cl)C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NC2=C(C(=O)NC3=C2C=C(C=C3)Cl)C#N)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21ClN4O3/c24-15-2-3-19-17(10-15)22(18(11-25)23(29)27-19)26-16-5-7-28(8-6-16)12-14-1-4-20-21(9-14)31-13-30-20/h1-4,9-10,16H,5-8,12-13H2,(H2,26,27,29)