N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[(4-nitrophenyl)carbonylamino]benzamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[(4-nitrophenyl)carbonylamino]benzamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[[(4-nitrophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[(4-nitrobenzoyl)amino]benzamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-3-methyl-4-[(4-nitrobenzoyl)amino]benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-15-11-19(22(28)25-14-17-4-2-3-16(12-17)13-24)7-10-21(15)26-23(29)18-5-8-20(9-6-18)27(30)31/h5-11,16-17H,2-4,12-14,24H2,1H3,(H,25,28)(H,26,29)