4-(cyclopropylamino)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-(2-furyl)-2-piperidino-ethyl]-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H26N4O4/c26-21(15-6-9-17(23-16-7-8-16)18(13-15)25(27)28)22-14-19(20-5-4-12-29-20)24-10-2-1-3-11-24/h4-6,9,12-13,16,19,23H,1-3,7-8,10-11,14H2,(H,22,26)