tert-butyl carbamate; 4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: tert-butyl carbamate; 4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: tert-butyl carbamate; 4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: carbamic acid tert-butyl ester; 4-[[3-[(4-phenylphenyl)methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: tert-butyl carbamate; 4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: carbamic acid tert-butyl ester; 4-[[3-(4-phenylbenzyl)imidazol-4-yl]methyl]benzonitrile Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N.C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N.C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=NC=C3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H19N3.C5H11NO2/c25-15-20-8-6-19(7-9-20)14-24-16-26-18-27(24)17-21-10-12-23(13-11-21)22-4-2-1-3-5-22;1-5(2,3)8-4(6)7/h1-13,16,18H,14,17H2;1-3H3,(H2,6,7)