N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-N-ethyl-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-N-ethyl-2-methoxy-5-nitro-benzamide Openeye Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-N-ethyl-2-methoxy-5-nitro-benzamide CAS Name: N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-N-ethyl-2-methoxy-5-nitrobenzamide IUPAC Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-N-ethyl-2-methoxy-5-nitrobenzamide Traditional Name: N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-N-ethyl-2-methoxy-5-nitro-benzamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)CC2=CC=CCC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN(C1CCN(CC1)CC2=CC=CCC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H29N3O4/c1-3-24(22(26)20-15-19(25(27)28)9-10-21(20)29-2)18-11-13-23(14-12-18)16-17-7-5-4-6-8-17/h4-5,7,9-10,15,18H,3,6,8,11-14,16H2,1-2H3