3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[1-[4-(1-adamantyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C33H34N4 MolecularWeight: 486.64986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6)C)C#N

InChI

InChI=1S/C33H34N4/c1-20-4-9-30-31(10-20)36-32(35-30)27(19-34)15-26-11-21(2)37(22(26)3)29-7-5-28(6-8-29)33-16-23-12-24(17-33)14-25(13-23)18-33/h4-11,15,23-25H,12-14,16-18H2,1-3H3,(H,35,36)