N-(3-azanylpropyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-4-cyano-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-4-cyano-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-4-cyano-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-4-cyano-N-[3-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O4/c26-13-2-14-29(25(32)21-7-5-18(16-27)6-8-21)17-19-3-1-4-22(15-19)28-24(31)20-9-11-23(12-10-20)30(33)34/h1,3-12,15H,2,13-14,17,26H2,(H,28,31)