4-[[5-[[butyl-[(3S)-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[butyl-[(3S)-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3S)-1-benzyl-2-oxo-pyrrolidin-3-yl]-butyl-amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[butyl-[(3S)-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-butylamino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3S)-1-benzyl-2-keto-pyrrolidin-3-yl]-butyl-amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)C3CCN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CC1=CN=CN1CC2=CC=C(C=C2)C#N)[C@H]3CCN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O/c1-2-3-14-30(26-13-15-31(27(26)33)18-23-7-5-4-6-8-23)20-25-17-29-21-32(25)19-24-11-9-22(16-28)10-12-24/h4-12,17,21,26H,2-3,13-15,18-20H2,1H3/t26-/m0/s1