N-[bis(azepan-1-yl)phosphoryl]-2-morpholin-4-yl-3-(phenylmethylidene)cyclohexene-1-carboxamide

Systemtic Name: N-[bis(azepan-1-yl)phosphoryl]-2-morpholin-4-yl-3-(phenylmethylidene)cyclohexene-1-carboxamide Openeye Name: 3-benzylidene-N-[bis(azepan-1-yl)phosphoryl]-2-morpholino-cyclohexene-1-carboxamide CAS Name: N-[bis(1-azepanyl)phosphoryl]-2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclohexenecarboxamide IUPAC Name: 3-benzylidene-N-[bis(azepan-1-yl)phosphoryl]-2-morpholin-4-ylcyclohexene-1-carboxamide Traditional Name: 3-benzal-N-[bis(azepan-1-yl)phosphoryl]-2-morpholino-cyclohexene-1-carboxamide Formula: C30H45N4O3P MolecularWeight: 540.677061

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=CC=C3)CCC2)N4CCOCC4)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)P(=O)(NC(=O)C2=C(C(=CC3=CC=CC=C3)CCC2)N4CCOCC4)N5CCCCCC5

InChI

InChI=1S/C30H45N4O3P/c35-30(31-38(36,33-17-8-1-2-9-18-33)34-19-10-3-4-11-20-34)28-16-12-15-27(25-26-13-6-5-7-14-26)29(28)32-21-23-37-24-22-32/h5-7,13-14,25H,1-4,8-12,15-24H2,(H,31,35,36)