3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[1-[(4-bromophenyl)methyl]-2-methyl-3-indolyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[1-(4-bromobenzyl)-2-methyl-indol-3-yl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C27H21BrN4 MolecularWeight: 481.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)Br)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=C(N(C4=CC=CC=C43)CC5=CC=C(C=C5)Br)C)C#N

InChI

InChI=1S/C27H21BrN4/c1-17-7-12-24-25(13-17)31-27(30-24)20(15-29)14-23-18(2)32(26-6-4-3-5-22(23)26)16-19-8-10-21(28)11-9-19/h3-14H,16H2,1-2H3,(H,30,31)