4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-3-pyrrolidin-1-ylcarbonyl-quinolin-2-one

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloranyl-1-methyl-3-pyrrolidin-1-ylcarbonyl-quinolin-2-one Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidyl)amino]-6-chloro-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-2-one CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(4-piperidinyl)amino]-6-chloro-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-2-quinolinone IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(piperidin-4-yl)amino]-6-chloro-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-2-one Traditional Name: 6-chloro-1-methyl-4-[4-piperidyl(piperonyl)amino]-3-(pyrrolidine-1-carbonyl)carbostyril Formula: C28H31ClN4O4 MolecularWeight: 523.02314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)N3CCCC3)N(CC4=CC5=C(C=C4)OCO5)C6CCNCC6

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=C(C1=O)C(=O)N3CCCC3)N(CC4=CC5=C(C=C4)OCO5)C6CCNCC6

InChI

InChI=1S/C28H31ClN4O4/c1-31-22-6-5-19(29)15-21(22)26(25(27(31)34)28(35)32-12-2-3-13-32)33(20-8-10-30-11-9-20)16-18-4-7-23-24(14-18)37-17-36-23/h4-7,14-15,20,30H,2-3,8-13,16-17H2,1H3