4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-methyl-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 4-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]-5-methyl-2-pyrrol-1-yl-3-furonitrile Formula: C23H23FN4O3 MolecularWeight: 422.452123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H23FN4O3/c1-16-21(18(14-25)23(31-16)28-7-3-4-8-28)22(29)27-11-9-26(10-12-27)15-17-5-6-20(30-2)19(24)13-17/h3-8,13H,9-12,15H2,1-2H3