N-(3-azanyl-2,2-dimethyl-propyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-cyano-N-[3-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(CN)CN(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H27N5O4/c1-27(2,17-29)18-31(26(34)22-8-6-19(15-28)7-9-22)16-20-4-3-5-23(14-20)30-25(33)21-10-12-24(13-11-21)32(35)36/h3-14H,16-18,29H2,1-2H3,(H,30,33)