4-[3-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonyl-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-[3-(dimethylamino)propyl]piperazin-1-yl]carbonyl-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-acetyl-3-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzonitrile CAS Name: 4-[5-acetyl-3-[[4-[3-(dimethylamino)propyl]-1-piperazinyl]-oxomethyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzonitrile IUPAC Name: 4-[5-acetyl-3-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzonitrile Traditional Name: 4-[5-acetyl-3-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-2-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridin-4-yl]benzonitrile Formula: C32H36F3N5O3 MolecularWeight: 595.65515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CCCN(C)C)C4=CC=C(C=C4)C#N)C(=O)C

Isomeric SMILES

CC1=C(C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)CCCN(C)C)C4=CC=C(C=C4)C#N)C(=O)C

InChI

InChI=1S/C32H36F3N5O3/c1-21-27(22(2)41)28(24-11-9-23(20-36)10-12-24)29(30(42)39-17-15-38(16-18-39)14-6-13-37(3)4)31(43)40(21)26-8-5-7-25(19-26)32(33,34)35/h5,7-12,19,28-29H,6,13-18H2,1-4H3