4-[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[2-(1H-benzimidazol-2-yl)-4-benzyl-piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)-4-benzylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-[2-(1H-benzimidazol-2-yl)-4-benzyl-piperazine-1-carbonyl]benzonitrile Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H23N5O/c27-16-19-10-12-21(13-11-19)26(32)31-15-14-30(17-20-6-2-1-3-7-20)18-24(31)25-28-22-8-4-5-9-23(22)29-25/h1-13,24H,14-15,17-18H2,(H,28,29)