methyl 3-[4-[4-(7-cyano-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[4-[4-(7-cyano-2-oxidanylidene-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[4-[4-(7-cyano-2-oxo-chromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate CAS Name: 3-[4-[4-(7-cyano-2-oxo-1-benzopyran-4-yl)-1-piperazinyl]butyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-[4-(7-cyano-2-oxochromen-4-yl)piperazin-1-yl]butyl]-1H-indole-6-carboxylate Traditional Name: 3-[4-[4-(7-cyano-2-keto-chromen-4-yl)piperazino]butyl]-1H-indole-6-carboxylic acid methyl ester Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC(=O)OC5=C4C=CC(=C5)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=CN2)CCCCN3CCN(CC3)C4=CC(=O)OC5=C4C=CC(=C5)C#N

InChI

InChI=1S/C28H28N4O4/c1-35-28(34)20-6-8-22-21(18-30-24(22)15-20)4-2-3-9-31-10-12-32(13-11-31)25-16-27(33)36-26-14-19(17-29)5-7-23(25)26/h5-8,14-16,18,30H,2-4,9-13H2,1H3