N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-3-quinolyl)methyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methyl-1-pyrazolyl)-N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]propanamide Traditional Name: 3-(3-methylpyrazol-1-yl)-N-[[7-(methylthio)-2-pyrrolidino-3-quinolyl]methyl]-N-piperonyl-propionamide Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCCC6

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCCC6

InChI

InChI=1S/C30H33N5O3S/c1-21-9-13-35(32-21)14-10-29(36)34(18-22-5-8-27-28(15-22)38-20-37-27)19-24-16-23-6-7-25(39-2)17-26(23)31-30(24)33-11-3-4-12-33/h5-9,13,15-17H,3-4,10-12,14,18-20H2,1-2H3