4-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carbonyl]benzonitrile CAS Name: 4-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolyl]-oxomethyl]benzonitrile IUPAC Name: 4-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-3-carbonyl]benzonitrile Traditional Name: 4-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carbonyl]benzonitrile Formula: C26H18N4O MolecularWeight: 402.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CN(C=C3C(=O)C4=CC=C(C=C4)C#N)CC5=CN=CN5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CN(C=C3C(=O)C4=CC=C(C=C4)C#N)CC5=CN=CN5

InChI

InChI=1S/C26H18N4O/c27-12-18-8-10-20(11-9-18)26(31)25-16-30(14-21-13-28-17-29-21)15-24(25)23-7-3-5-19-4-1-2-6-22(19)23/h1-11,13,15-17H,14H2,(H,28,29)