butanedioic acid; 4-[(4-cyanophenyl)-imidazol-1-yl-methyl]benzenecarbonitrile

Systemtic Name: butanedioic acid; 4-[(4-cyanophenyl)-imidazol-1-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(4-cyanophenyl)-imidazol-1-yl-methyl]benzonitrile; succinic acid CAS Name: butanedioic acid; 4-[(4-cyanophenyl)-(1-imidazolyl)methyl]benzonitrile IUPAC Name: butanedioic acid; 4-[(4-cyanophenyl)-imidazol-1-ylmethyl]benzonitrile Traditional Name: 4-[(4-cyanophenyl)-imidazol-1-yl-methyl]benzonitrile; succinic acid Formula: C40H30N8O4 MolecularWeight: 686.7174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3.C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3.C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3.C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=CN=C3.C(CC(=O)O)C(=O)O

InChI

InChI=1S/2C18H12N4.C4H6O4/c2*19-11-14-1-5-16(6-2-14)18(22-10-9-21-13-22)17-7-3-15(12-20)4-8-17;5-3(6)1-2-4(7)8/h2*1-10,13,18H;1-2H2,(H,5,6)(H,7,8)