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

Systemtic Name: 4-azanyl-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-prop-2-ynoxy-benzamide Openeye Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-5-nitro-2-prop-2-ynoxy-benzamide CAS Name: 4-amino-N-[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]-5-nitro-2-prop-2-ynoxybenzamide IUPAC Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-prop-2-ynoxybenzamide Traditional Name: 4-amino-N-[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]-5-nitro-2-propargyloxy-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N

Isomeric SMILES

C#CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-])N

InChI

InChI=1S/C22H26N4O4/c1-2-12-30-21-14-19(23)20(26(28)29)13-18(21)22(27)24-17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h1,3-4,6,13-14,17H,5,7-12,15,23H2,(H,24,27)