1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)-1-piperidyl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(1H-indol-3-yl)piperidino]butane-1,4-dione Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCC(CC3)C4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C26H28N2O4/c29-23(19-6-8-24-25(16-19)32-15-3-14-31-24)7-9-26(30)28-12-10-18(11-13-28)21-17-27-22-5-2-1-4-20(21)22/h1-2,4-6,8,16-18,27H,3,7,9-15H2