(E)-2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-(4-isopropylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-p-cumenyl-acrylonitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H26N4O/c1-17(2)19-11-9-18(10-12-19)14-21(15-26)25(30)29-13-5-6-20(16-29)24-27-22-7-3-4-8-23(22)28-24/h3-4,7-12,14,17,20H,5-6,13,16H2,1-2H3,(H,27,28)/b21-14+