1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)butan-1-one CAS Name: 1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-(5-methyl-6-phenyl-1,3,4,6-tetrahydro-2,5-benzodiazocin-2-yl)butan-1-one Formula: C27H29FN2O MolecularWeight: 416.530363

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC2=CC=CC=C2C1C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1CCN(CC2=CC=CC=C2C1C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN2O/c1-29-18-19-30(17-7-12-26(31)21-13-15-24(28)16-14-21)20-23-10-5-6-11-25(23)27(29)22-8-3-2-4-9-22/h2-6,8-11,13-16,27H,7,12,17-20H2,1H3