2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[4-[(2-methylthiazol-4-yl)methyl]piperazino]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3S/c1-15-21-17(14-29-15)12-22-7-9-23(10-8-22)13-20(26)24-6-2-3-16-11-18(25(27)28)4-5-19(16)24/h4-5,11,14H,2-3,6-10,12-13H2,1H3