9-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-8-piperidin-1-yl-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one

Systemtic Name: 9-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-8-piperidin-1-yl-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one Openeye Name: 9-[2,2-bis(4-fluorophenyl)-1-methyl-vinyl]-8-(1-piperidyl)-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one CAS Name: 9-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-8-(1-piperidinyl)-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one IUPAC Name: 9-[1,1-bis(4-fluorophenyl)prop-1-en-2-yl]-8-piperidin-1-yl-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one Traditional Name: 9-[2,2-bis(4-fluorophenyl)-1-methyl-vinyl]-8-piperidino-2,5,6,7,8,9-hexahydro-[1,2,4]triazol[4,3-a]azepin-3-one Formula: C27H30F2N4O MolecularWeight: 464.550106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3C(CCCN4C3=NNC4=O)N5CCCCC5

Isomeric SMILES

CC(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)C3C(CCCN4C3=NNC4=O)N5CCCCC5

InChI

InChI=1S/C27H30F2N4O/c1-18(24(19-7-11-21(28)12-8-19)20-9-13-22(29)14-10-20)25-23(32-15-3-2-4-16-32)6-5-17-33-26(25)30-31-27(33)34/h7-14,23,25H,2-6,15-17H2,1H3,(H,31,34)