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

Systemtic Name: 4-azanyl-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitro-benzamide hydrochloride Openeye Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-5-nitro-benzamide hydrochloride CAS Name: 4-amino-N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-2-methoxy-5-nitrobenzamide hydrochloride IUPAC Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-2-methoxy-5-nitrobenzamide hydrochloride Traditional Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-2-methoxy-5-nitro-benzamide hydrochloride Formula: C20H27ClN4O4 MolecularWeight: 422.90578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N.Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N.Cl

InChI

InChI=1S/C20H26N4O4.ClH/c1-28-19-12-17(21)18(24(26)27)11-16(19)20(25)22-15-7-9-23(10-8-15)13-14-5-3-2-4-6-14;/h2-3,5,11-12,15H,4,6-10,13,21H2,1H3,(H,22,25);1H