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

Systemtic Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(3-cyanophenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(3-cyanophenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-14-4-3-9-23(13-14)18-8-7-16(11-19(18)24(26)27)20(25)22-17-6-2-5-15(10-17)12-21/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H,22,25)/t14-/m0/s1