4-[[(3-azanyl-2,2-dimethyl-propyl)-[(3-phenoxyphenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3-azanyl-2,2-dimethyl-propyl)-[(3-phenoxyphenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(3-amino-2,2-dimethyl-propyl)-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(3-phenoxyphenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[(3-amino-2,2-dimethyl-propyl)-(3-phenoxybenzyl)amino]methyl]benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O/c1-26(2,19-28)20-29(17-22-13-11-21(16-27)12-14-22)18-23-7-6-10-25(15-23)30-24-8-4-3-5-9-24/h3-15H,17-20,28H2,1-2H3