N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolyl]-4-oxo-4-(4-phenyl-1-piperazinyl)butanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]-4-keto-4-(4-phenylpiperazino)butyramide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=CN=C1NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N5O4/c1-28-20(18-7-8-21-22(15-18)34-17-33-21)16-26-25(28)27-23(31)9-10-24(32)30-13-11-29(12-14-30)19-5-3-2-4-6-19/h2-8,15-16H,9-14,17H2,1H3,(H,26,27,31)