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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC(=O)NC2=C(C3=C(N2)C=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC(=O)NC2=C(C3=C(N2)C=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

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