3-[[3-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-[1-(1,3-benzodioxol-5-ylcarbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile CAS Name: 3-[[3-[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-pyrrolidinyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 3-[[3-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]indol-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-(1-piperonyloylpyrrolidin-3-yl)indol-1-yl]methyl]benzonitrile Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC1C2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H23N3O3/c29-14-19-4-3-5-20(12-19)15-31-17-24(23-6-1-2-7-25(23)31)22-10-11-30(16-22)28(32)21-8-9-26-27(13-21)34-18-33-26/h1-9,12-13,17,22H,10-11,15-16,18H2