4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[2-(4-phenyl-1-piperazinyl)ethyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[2-(4-phenylpiperazino)ethyl]butyramide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCN3CCN(CC3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCN3CCN(CC3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C25H31N3O4/c29-22(20-7-9-23-24(19-20)32-18-4-17-31-23)8-10-25(30)26-11-12-27-13-15-28(16-14-27)21-5-2-1-3-6-21/h1-3,5-7,9,19H,4,8,10-18H2,(H,26,30)