1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C32H33ClN4O5 MolecularWeight: 589.08122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C32H33ClN4O5/c1-20-27-24(30(38)25(31(39)40)19-36(27)32(2,3)4)18-26(37(41)42)28(20)34-14-16-35(17-15-34)29(21-8-6-5-7-9-21)22-10-12-23(33)13-11-22/h5-13,18-19,29H,14-17H2,1-4H3,(H,39,40)