1,7-dimorpholin-4-yl-4-(phenylmethylidene)heptane-3,5-dione hydrochloride

Systemtic Name: 1,7-dimorpholin-4-yl-4-(phenylmethylidene)heptane-3,5-dione hydrochloride Openeye Name: 4-benzylidene-1,7-dimorpholino-heptane-3,5-dione hydrochloride CAS Name: 1,7-bis(4-morpholinyl)-4-(phenylmethylene)heptane-3,5-dione hydrochloride IUPAC Name: 4-benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione hydrochloride Traditional Name: 4-benzal-1,7-dimorpholino-heptane-3,5-dione hydrochloride Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCOCC3.Cl

Isomeric SMILES

C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCOCC3.Cl

InChI

InChI=1S/C22H30N2O4.ClH/c25-21(6-8-23-10-14-27-15-11-23)20(18-19-4-2-1-3-5-19)22(26)7-9-24-12-16-28-17-13-24;/h1-5,18H,6-17H2;1H