4-[[(3-azanyl-2,2-dimethyl-propyl)-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3-azanyl-2,2-dimethyl-propyl)-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(3-amino-2,2-dimethyl-propyl)-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[(3-amino-2,2-dimethylpropyl)-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[(3-amino-2,2-dimethyl-propyl)-(4-methoxy-3-nitro-benzyl)amino]methyl]benzonitrile Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=C(C=C1)C#N)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-21(2,14-23)15-24(12-17-6-4-16(11-22)5-7-17)13-18-8-9-20(28-3)19(10-18)25(26)27/h4-10H,12-15,23H2,1-3H3