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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-phenethyl-benzamide Openeye Name: 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-N-phenethyl-benzamide CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitro-N-phenethylbenzamide IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N-phenethylbenzamide Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-N-phenethyl-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-16-6-5-13-23(15-16)19-10-9-18(14-20(19)24(26)27)21(25)22-12-11-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,22,25)/t16-/m0/s1