N-di(piperidin-1-yl)phosphoryl-2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole-3-carboxamide

Systemtic Name: N-di(piperidin-1-yl)phosphoryl-2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole-3-carboxamide Openeye Name: 1-(4-benzyloxyphenyl)-N-[bis(1-piperidyl)phosphoryl]-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-[bis(1-piperidinyl)phosphoryl]-2,5-dimethyl-1-(4-phenylmethoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: N-di(piperidin-1-yl)phosphoryl-2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrole-3-carboxamide Traditional Name: 1-(4-benzoxyphenyl)-N-dipiperidinophosphoryl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C30H39N4O3P MolecularWeight: 534.629421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C(=O)NP(=O)(N4CCCCC4)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C(=O)NP(=O)(N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C30H39N4O3P/c1-24-22-29(30(35)31-38(36,32-18-8-4-9-19-32)33-20-10-5-11-21-33)25(2)34(24)27-14-16-28(17-15-27)37-23-26-12-6-3-7-13-26/h3,6-7,12-17,22H,4-5,8-11,18-21,23H2,1-2H3,(H,31,35,36)