N-(3-azanylpropyl)-N-[[2-chloranyl-5-[(4-nitrophenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-[(4-nitrophenyl)carbonylamino]phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-[(4-nitrobenzoyl)amino]benzyl]-4-cyano-benzamide Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H22ClN5O4/c26-23-11-8-21(29-24(32)18-6-9-22(10-7-18)31(34)35)14-20(23)16-30(13-1-12-27)25(33)19-4-2-17(15-28)3-5-19/h2-11,14H,1,12-13,16,27H2,(H,29,32)