4-(3-methylpiperidin-1-yl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-benzamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-N-[2-(2-methylpropanoylamino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4/c1-13(2)18(24)20-8-9-21-19(25)15-6-7-16(17(11-15)23(26)27)22-10-4-5-14(3)12-22/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3,(H,20,24)(H,21,25)