5-methyl-2-pyrrol-1-yl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]furan-3-carbonitrile

Systemtic Name: 5-methyl-2-pyrrol-1-yl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]furan-3-carbonitrile Openeye Name: 5-methyl-2-pyrrol-1-yl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]furan-3-carbonitrile CAS Name: 5-methyl-4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 5-methyl-2-pyrrol-1-yl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]furan-3-carbonitrile Traditional Name: 5-methyl-2-pyrrol-1-yl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]-3-furonitrile Formula: C22H20F3N5O2 MolecularWeight: 443.42171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O2/c1-15-19(17(13-26)21(32-15)30-7-2-3-8-30)20(31)29-10-4-9-28(11-12-29)18-6-5-16(14-27-18)22(23,24)25/h2-3,5-8,14H,4,9-12H2,1H3