2-azanyl-1-[(4-fluorophenyl)methyl]-4,5-bis(4-methoxyphenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-1-[(4-fluorophenyl)methyl]-4,5-bis(4-methoxyphenyl)pyrrole-3-carbonitrile Openeye Name: 2-amino-1-[(4-fluorophenyl)methyl]-4,5-bis(4-methoxyphenyl)pyrrole-3-carbonitrile CAS Name: 2-amino-1-[(4-fluorophenyl)methyl]-4,5-bis(4-methoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-amino-1-[(4-fluorophenyl)methyl]-4,5-bis(4-methoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 2-amino-1-(4-fluorobenzyl)-4,5-bis(4-methoxyphenyl)pyrrole-3-carbonitrile Formula: C26H22FN3O2 MolecularWeight: 427.470183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=C2C#N)N)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=C2C#N)N)CC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H22FN3O2/c1-31-21-11-5-18(6-12-21)24-23(15-28)26(29)30(16-17-3-9-20(27)10-4-17)25(24)19-7-13-22(32-2)14-8-19/h3-14H,16,29H2,1-2H3