4-[[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]methyl]-3-(3-ethoxyphenyl)benzenecarbonitrile

Systemtic Name: 4-[[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]methyl]-3-(3-ethoxyphenyl)benzenecarbonitrile Openeye Name: 4-[[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]methyl]-3-(3-ethoxyphenyl)benzonitrile CAS Name: 4-[[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]methyl]-3-(3-ethoxyphenyl)benzonitrile IUPAC Name: 4-[[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]methyl]-3-(3-ethoxyphenyl)benzonitrile Traditional Name: 4-[[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]methyl]-3-m-phenetyl-benzonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=CC(=C2)C#N)CNCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=CC(=C2)C#N)CNCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H25N5O/c1-2-34-27-5-3-4-24(13-27)28-12-23(15-30)10-11-25(28)16-31-17-26-18-32-20-33(26)19-22-8-6-21(14-29)7-9-22/h3-13,18,20,31H,2,16-17,19H2,1H3