methyl 1-oxidanylidene-9-(4-piperazin-1-ylphenyl)-2H-benzo[h]isoquinoline-6-carboxylate

Systemtic Name: methyl 1-oxidanylidene-9-(4-piperazin-1-ylphenyl)-2H-benzo[h]isoquinoline-6-carboxylate Openeye Name: methyl 1-oxo-9-(4-piperazin-1-ylphenyl)-2H-benzo[h]isoquinoline-6-carboxylate CAS Name: 1-oxo-9-[4-(1-piperazinyl)phenyl]-2H-benzo[h]isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 1-oxo-9-(4-piperazin-1-ylphenyl)-2H-benzo[h]isoquinoline-6-carboxylate Traditional Name: 1-keto-9-(4-piperazinophenyl)-2H-benz[h]isoquinoline-6-carboxylic acid methyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)N5CCNCC5

Isomeric SMILES

COC(=O)C1=C2C=CC(=CC2=C3C(=C1)C=CNC3=O)C4=CC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C25H23N3O3/c1-31-25(30)22-15-18-8-9-27-24(29)23(18)21-14-17(4-7-20(21)22)16-2-5-19(6-3-16)28-12-10-26-11-13-28/h2-9,14-15,26H,10-13H2,1H3,(H,27,29)