[4-[(2-azanyl-3-cyano-1H-indol-5-yl)oxy]phenyl] 2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [4-[(2-azanyl-3-cyano-1H-indol-5-yl)oxy]phenyl] 2-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl] 2-(4-methylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid [4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl] ester IUPAC Name: [4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl] 2-(4-methylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-2-(4-methylpiperazino)butyric acid [4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl] ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CC=O)C(=O)OC2=CC=C(C=C2)OC3=CC4=C(C=C3)NC(=C4C#N)N

Isomeric SMILES

CN1CCN(CC1)C(CC=O)C(=O)OC2=CC=C(C=C2)OC3=CC4=C(C=C3)NC(=C4C#N)N

InChI

InChI=1S/C24H25N5O4/c1-28-9-11-29(12-10-28)22(8-13-30)24(31)33-17-4-2-16(3-5-17)32-18-6-7-21-19(14-18)20(15-25)23(26)27-21/h2-7,13-14,22,27H,8-12,26H2,1H3