5-(4-tert-butylphenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-tert-butylphenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Openeye Name: 5-(4-tert-butylphenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylene]cyclohexane-1,3-dione CAS Name: 5-(4-tert-butylphenyl)-2-[[2-[4-(1-oxopropyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-tert-butylphenyl)-2-[[2-(4-propanoylpiperazin-1-yl)ethylamino]methylidene]cyclohexane-1,3-dione Traditional Name: 5-(4-tert-butylphenyl)-2-[[2-(4-propionylpiperazino)ethylamino]methylene]cyclohexane-1,3-quinone Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H37N3O3/c1-5-25(32)29-14-12-28(13-15-29)11-10-27-18-22-23(30)16-20(17-24(22)31)19-6-8-21(9-7-19)26(2,3)4/h6-9,18,20,27H,5,10-17H2,1-4H3