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

Systemtic Name: N-[(4-cyanophenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-cyanobenzyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-15-8-10-24(11-9-15)19-7-6-18(12-20(19)25(27)28)21(26)23-14-17-4-2-16(13-22)3-5-17/h2-7,12,15H,8-11,14H2,1H3,(H,23,26)