N-bis(4-ethylpiperazin-1-yl)phosphoryl-2-morpholin-4-yl-3-(phenylmethylidene)cyclopentene-1-carboxamide

Systemtic Name: N-bis(4-ethylpiperazin-1-yl)phosphoryl-2-morpholin-4-yl-3-(phenylmethylidene)cyclopentene-1-carboxamide Openeye Name: 3-benzylidene-N-bis(4-ethylpiperazin-1-yl)phosphoryl-2-morpholino-cyclopentene-1-carboxamide CAS Name: N-[bis(4-ethyl-1-piperazinyl)phosphoryl]-2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclopentenecarboxamide IUPAC Name: 3-benzylidene-N-bis(4-ethylpiperazin-1-yl)phosphoryl-2-morpholin-4-ylcyclopentene-1-carboxamide Traditional Name: 3-benzal-N-bis(4-ethylpiperazino)phosphoryl-2-morpholino-cyclopentene-1-carboxamide Formula: C29H45N6O3P MolecularWeight: 556.679761

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=CC=C3)CC2)N4CCOCC4)N5CCN(CC5)CC

Isomeric SMILES

CCN1CCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=CC=C3)CC2)N4CCOCC4)N5CCN(CC5)CC

InChI

InChI=1S/C29H45N6O3P/c1-3-31-12-16-34(17-13-31)39(37,35-18-14-32(4-2)15-19-35)30-29(36)27-11-10-26(24-25-8-6-5-7-9-25)28(27)33-20-22-38-23-21-33/h5-9,24H,3-4,10-23H2,1-2H3,(H,30,36,37)