N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,5-dimethyl-1-piperidyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,5-dimethyl-1-piperidinyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,5-dimethylpiperidino)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)CCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H30N4O3/c1-15-11-16(2)14-22(13-15)10-7-21-20(25)17-5-6-18(19(12-17)24(26)27)23-8-3-4-9-23/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,21,25)