6-(4-bromophenyl)-1,1-dimorpholin-4-yl-3-pyrrolidin-1-yl-1$l^{5}-phosphacyclohexa-2,4,6-triene-2-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-1,1-dimorpholin-4-yl-3-pyrrolidin-1-yl-1$l^{5}-phosphacyclohexa-2,4,6-triene-2-carbonitrile Openeye Name: 6-(4-bromophenyl)-1,1-dimorpholino-3-pyrrolidin-1-yl-1$l^{5}-phosphacyclohexa-2,4,6-triene-2-carbonitrile CAS Name: 6-(4-bromophenyl)-1,1-bis(4-morpholinyl)-3-(1-pyrrolidinyl)-1$l^{5}-phosphacyclohexa-2,4,6-triene-2-carbonitrile IUPAC Name: 6-(4-bromophenyl)-1,1-dimorpholin-4-yl-3-pyrrolidin-1-yl-1$l^{5}-phosphacyclohexa-2,4,6-triene-2-carbonitrile Traditional Name: 6-(4-bromophenyl)-1,1-dimorpholino-3-pyrrolidino-phosphorin-2-carbonitrile Formula: C24H30BrN4O2P MolecularWeight: 517.398361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(P(=C(C=C2)C3=CC=C(C=C3)Br)(N4CCOCC4)N5CCOCC5)C#N

Isomeric SMILES

C1CCN(C1)C2=C(P(=C(C=C2)C3=CC=C(C=C3)Br)(N4CCOCC4)N5CCOCC5)C#N

InChI

InChI=1S/C24H30BrN4O2P/c25-21-5-3-20(4-6-21)23-8-7-22(27-9-1-2-10-27)24(19-26)32(23,28-11-15-30-16-12-28)29-13-17-31-18-14-29/h3-8H,1-2,9-18H2