6-nitro-4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1H-quinolin-2-one

Systemtic Name: 6-nitro-4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1H-quinolin-2-one Openeye Name: 6-nitro-4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1H-quinolin-2-one CAS Name: 6-nitro-4-[2-[4-(4-thieno[3,2-c]pyridinyl)-1-piperazinyl]ethyl]-1H-quinolin-2-one IUPAC Name: 6-nitro-4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]-1H-quinolin-2-one Traditional Name: 6-nitro-4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazino)ethyl]carbostyril Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C4=NC=CC5=C4C=CS5

Isomeric SMILES

C1CN(CCN1CCC2=CC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C4=NC=CC5=C4C=CS5

InChI

InChI=1S/C22H21N5O3S/c28-21-13-15(18-14-16(27(29)30)1-2-19(18)24-21)4-7-25-8-10-26(11-9-25)22-17-5-12-31-20(17)3-6-23-22/h1-3,5-6,12-14H,4,7-11H2,(H,24,28)