7-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-(3,4-dimethoxyphenyl)-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinine

Systemtic Name: 7-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-(3,4-dimethoxyphenyl)-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinine Openeye Name: 7-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-(3,4-dimethoxyphenyl)-1-(2-ethyl-1-piperidyl)-5-phenyl-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphinine CAS Name: 7-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-3-(3,4-dimethoxyphenyl)-1-(2-ethyl-1-piperidinyl)-5-phenyl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphorine IUPAC Name: 7-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-3-(3,4-dimethoxyphenyl)-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphinine Traditional Name: 7-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-3-(3,4-dimethoxyphenyl)-1-(2-ethylpiperidino)-5-phenyl-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphorine Formula: C37H39BrN5O3PS MolecularWeight: 744.680021

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1P2(=S)C3=C(N=C(O2)C4=CC(=C(C=C4)OC)OC)N(N=C3C5=C(N(C(=C5)C)C6=CC=C(C=C6)Br)C)C7=CC=CC=C7

Isomeric SMILES

CCC1CCCCN1P2(=S)C3=C(N=C(O2)C4=CC(=C(C=C4)OC)OC)N(N=C3C5=C(N(C(=C5)C)C6=CC=C(C=C6)Br)C)C7=CC=CC=C7

InChI

InChI=1S/C37H39BrN5O3PS/c1-6-28-12-10-11-21-41(28)47(48)35-34(31-22-24(2)42(25(31)3)29-18-16-27(38)17-19-29)40-43(30-13-8-7-9-14-30)36(35)39-37(46-47)26-15-20-32(44-4)33(23-26)45-5/h7-9,13-20,22-23,28H,6,10-12,21H2,1-5H3