2-[4-[(2S,4S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-[5-[2,4-bis(fluoranyl)phenyl]-1,2,3,4-tetrazol-2-yl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2S,4S)-1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-[5-[2,4-bis(fluoranyl)phenyl]-1,2,3,4-tetrazol-2-yl]pyrrolidin-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(2S,4S)-1-[(3,4-difluorophenyl)methyl]-4-[5-(2,4-difluorophenyl)tetrazol-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[[(2S,4S)-1-[(3,4-difluorophenyl)methyl]-4-[5-(2,4-difluorophenyl)-2-tetrazolyl]-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(2S,4S)-1-[(3,4-difluorophenyl)methyl]-4-[5-(2,4-difluorophenyl)tetrazol-2-yl]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-[(2S,4S)-1-(3,4-difluorobenzyl)-4-[5-(2,4-difluorophenyl)tetrazol-2-yl]prolyl]piperazino]benzonitrile Formula: C30H26F4N8O MolecularWeight: 590.574053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)C3CC(CN3CC4=CC(=C(C=C4)F)F)N5N=C(N=N5)C6=C(C=C(C=C6)F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=O)[C@@H]3C[C@@H](CN3CC4=CC(=C(C=C4)F)F)N5N=C(N=N5)C6=C(C=C(C=C6)F)F

InChI

InChI=1S/C30H26F4N8O/c31-21-6-7-23(25(33)14-21)29-36-38-42(37-29)22-15-28(41(18-22)17-19-5-8-24(32)26(34)13-19)30(43)40-11-9-39(10-12-40)27-4-2-1-3-20(27)16-35/h1-8,13-14,22,28H,9-12,15,17-18H2/t22-,28-/m0/s1