methyl 4-(3,5-dimethylphenyl)-2-methyl-5-oxidanylidene-8-(2-piperazin-1-ylethanoylamino)indeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 4-(3,5-dimethylphenyl)-2-methyl-5-oxidanylidene-8-(2-piperazin-1-ylethanoylamino)indeno[1,2-b]pyridine-3-carboxylate Openeye Name: methyl 4-(3,5-dimethylphenyl)-2-methyl-5-oxo-8-[(2-piperazin-1-ylacetyl)amino]indeno[1,2-b]pyridine-3-carboxylate CAS Name: 4-(3,5-dimethylphenyl)-2-methyl-5-oxo-8-[[1-oxo-2-(1-piperazinyl)ethyl]amino]-3-indeno[1,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethylphenyl)-2-methyl-5-oxo-8-[(2-piperazin-1-ylacetyl)amino]indeno[1,2-b]pyridine-3-carboxylate Traditional Name: 4-(3,5-dimethylphenyl)-5-keto-2-methyl-8-[(2-piperazinoacetyl)amino]indeno[1,2-b]pyridine-3-carboxylic acid methyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C3C(=NC(=C2C(=O)OC)C)C4=C(C3=O)C=CC(=C4)NC(=O)CN5CCNCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C3C(=NC(=C2C(=O)OC)C)C4=C(C3=O)C=CC(=C4)NC(=O)CN5CCNCC5)C

InChI

InChI=1S/C29H30N4O4/c1-16-11-17(2)13-19(12-16)25-24(29(36)37-4)18(3)31-27-22-14-20(5-6-21(22)28(35)26(25)27)32-23(34)15-33-9-7-30-8-10-33/h5-6,11-14,30H,7-10,15H2,1-4H3,(H,32,34)