1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-pyrrolidin-3-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxo-3-pyrrolidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-dioxopyrrolidin-3-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(3S)-1-(1,3-benzodioxol-5-yl)-2,5-diketo-pyrrolidin-3-yl]-4-phenyl-isonipecotonitrile Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O4/c24-14-23(16-4-2-1-3-5-16)8-10-25(11-9-23)18-13-21(27)26(22(18)28)17-6-7-19-20(12-17)30-15-29-19/h1-7,12,18H,8-11,13,15H2/t18-/m0/s1