(5Z)-5-[4-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methylpiperazin-1-yl)pentan-1-one

Systemtic Name: (5Z)-5-[4-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methylpiperazin-1-yl)pentan-1-one Openeye Name: (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methylpiperazin-1-yl)pentan-1-one CAS Name: (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methyl-1-piperazinyl)-1-pentanone IUPAC Name: (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methylpiperazin-1-yl)pentan-1-one Traditional Name: (5Z)-5-[5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]-1-(4-methylpiperazino)pentan-1-one Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)N3CCN(CC3)C)C2)O)O

Isomeric SMILES

CC#CCC(C)C(/C=C/C1C(CC2C1C/C(=C\CCCC(=O)N3CCN(CC3)C)/C2)O)O

InChI

InChI=1S/C27H42N2O3/c1-4-5-8-20(2)25(30)12-11-23-24-18-21(17-22(24)19-26(23)31)9-6-7-10-27(32)29-15-13-28(3)14-16-29/h9,11-12,20,22-26,30-31H,6-8,10,13-19H2,1-3H3/b12-11+,21-9-