N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C27H26N8O3 MolecularWeight: 510.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N8O3/c1-17-5-4-6-21-18(2)13-24(30-25(17)21)34-26(20(15-28)16-29-34)31-27(36)19-7-8-22(23(14-19)35(37)38)33-11-9-32(3)10-12-33/h4-8,13-14,16H,9-12H2,1-3H3,(H,31,36)