(Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-(4-isoamoxy-3-methoxy-phenyl)acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C22H23N3O2/c1-15(2)10-11-27-20-9-8-16(13-21(20)26-3)12-17(14-23)22-24-18-6-4-5-7-19(18)25-22/h4-9,12-13,15H,10-11H2,1-3H3,(H,24,25)/b17-12-