N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(m-tolyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(m-tolyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide Formula: C24H21F6N3O MolecularWeight: 481.433459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3=CC=CN3CCCN2C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C2C3=CC=CN3CCCN2C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H21F6N3O/c1-15-5-2-6-16(11-15)21-20-7-3-8-32(20)9-4-10-33(21)22(34)31-19-13-17(23(25,26)27)12-18(14-19)24(28,29)30/h2-3,5-8,11-14,21H,4,9-10H2,1H3,(H,31,34)