2-[(S)-azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-7-(3-methoxyphenyl)-1-benzofuran-5-carbonitrile

Systemtic Name: 2-[(S)-azanyl-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-7-(3-methoxyphenyl)-1-benzofuran-5-carbonitrile Openeye Name: 2-[(S)-amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-7-(3-methoxyphenyl)benzofuran-5-carbonitrile CAS Name: 2-[(S)-amino-(4-cyanophenyl)-(3-methyl-4-imidazolyl)methyl]-7-(3-methoxyphenyl)-5-benzofurancarbonitrile IUPAC Name: 2-[(S)-amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-7-(3-methoxyphenyl)-1-benzofuran-5-carbonitrile Traditional Name: 2-[(S)-amino-(4-cyanophenyl)-(3-methylimidazol-4-yl)methyl]-7-(3-methoxyphenyl)benzofuran-5-carbonitrile Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=C(O3)C(=CC(=C4)C#N)C5=CC(=CC=C5)OC)N

Isomeric SMILES

CN1C=NC=C1[C@@](C2=CC=C(C=C2)C#N)(C3=CC4=C(O3)C(=CC(=C4)C#N)C5=CC(=CC=C5)OC)N

InChI

InChI=1S/C28H21N5O2/c1-33-17-32-16-25(33)28(31,22-8-6-18(14-29)7-9-22)26-13-21-10-19(15-30)11-24(27(21)35-26)20-4-3-5-23(12-20)34-2/h3-13,16-17H,31H2,1-2H3/t28-/m0/s1