1-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O4S/c23-20-17-8-7-16(26(29)30)14-18(17)31-21(20)22(28)25-12-10-24(11-13-25)19(27)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,10-13H2