N-(3-cyano-6-phenylmethoxy-1H-indol-2-yl)-N-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(3-cyano-6-phenylmethoxy-1H-indol-2-yl)-N-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanamide Openeye Name: N-(6-benzyloxy-3-cyano-1H-indol-2-yl)-N-(4-methylpiperazin-1-yl)-4-oxo-butanamide CAS Name: N-(3-cyano-6-phenylmethoxy-1H-indol-2-yl)-N-(4-methyl-1-piperazinyl)-4-oxobutanamide IUPAC Name: N-(3-cyano-6-phenylmethoxy-1H-indol-2-yl)-N-(4-methylpiperazin-1-yl)-4-oxobutanamide Traditional Name: N-(6-benzoxy-3-cyano-1H-indol-2-yl)-4-keto-N-(4-methylpiperazino)butyramide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N(C2=C(C3=C(N2)C=C(C=C3)OCC4=CC=CC=C4)C#N)C(=O)CCC=O

Isomeric SMILES

CN1CCN(CC1)N(C2=C(C3=C(N2)C=C(C=C3)OCC4=CC=CC=C4)C#N)C(=O)CCC=O

InChI

InChI=1S/C25H27N5O3/c1-28-11-13-29(14-12-28)30(24(32)8-5-15-31)25-22(17-26)21-10-9-20(16-23(21)27-25)33-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,15-16,27H,5,8,11-14,18H2,1H3