3-nitro-1-phenethyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 3-nitro-1-phenethyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 3-nitro-1-phenethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-phenethyl-2-quinolinone IUPAC Name: 3-nitro-1-phenethyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 3-nitro-1-phenethyl-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CCC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CCC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C26H24N4O4S/c31-25(22-11-6-18-35-22)28-16-14-27(15-17-28)23-20-9-4-5-10-21(20)29(26(32)24(23)30(33)34)13-12-19-7-2-1-3-8-19/h1-11,18H,12-17H2