N-[(4-aminocarbonylphenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(4-carbamoylphenyl)methyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-carbamoylbenzyl)-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-14-3-2-10-24(13-14)18-9-8-17(11-19(18)25(28)29)21(27)23-12-15-4-6-16(7-5-15)20(22)26/h4-9,11,14H,2-3,10,12-13H2,1H3,(H2,22,26)(H,23,27)