2-methoxy-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitro-benzamide

Systemtic Name: 2-methoxy-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitro-benzamide Openeye Name: 2-methoxy-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]-4-piperidyl]-5-nitro-benzamide CAS Name: 2-methoxy-N-[1-[(4-methyl-1-cyclohexa-1,4-dienyl)methyl]-4-piperidinyl]-5-nitrobenzamide IUPAC Name: 2-methoxy-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitrobenzamide Traditional Name: 2-methoxy-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]-4-piperidyl]-5-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=CC1)CN2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CCC(=CC1)CN2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O4/c1-15-3-5-16(6-4-15)14-23-11-9-17(10-12-23)22-21(25)19-13-18(24(26)27)7-8-20(19)28-2/h3,6-8,13,17H,4-5,9-12,14H2,1-2H3,(H,22,25)