4-azanyl-N-[1-(2-cyclohexa-1,3-dien-1-ylethyl)piperidin-4-yl]-5-nitro-2-prop-2-ynoxy-benzamide

Systemtic Name: 4-azanyl-N-[1-(2-cyclohexa-1,3-dien-1-ylethyl)piperidin-4-yl]-5-nitro-2-prop-2-ynoxy-benzamide Openeye Name: 4-amino-N-[1-(2-cyclohexa-1,3-dien-1-ylethyl)-4-piperidyl]-5-nitro-2-prop-2-ynoxy-benzamide CAS Name: 4-amino-N-[1-[2-(1-cyclohexa-1,3-dienyl)ethyl]-4-piperidinyl]-5-nitro-2-prop-2-ynoxybenzamide IUPAC Name: 4-amino-N-[1-(2-cyclohexa-1,3-dien-1-ylethyl)piperidin-4-yl]-5-nitro-2-prop-2-ynoxybenzamide Traditional Name: 4-amino-N-[1-(2-cyclohexa-1,3-dien-1-ylethyl)-4-piperidyl]-5-nitro-2-propargyloxy-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CCC3)[N+](=O)[O-])N

Isomeric SMILES

C#CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CCC3)[N+](=O)[O-])N

InChI

InChI=1S/C23H28N4O4/c1-2-14-31-22-16-20(24)21(27(29)30)15-19(22)23(28)25-18-9-12-26(13-10-18)11-8-17-6-4-3-5-7-17/h1,3-4,6,15-16,18H,5,7-14,24H2,(H,25,28)